6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine

C14H24N4 — CID 113486283

IUPAC6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC2(C)CCC2)nc(C(C)C)n1
InChIInChI=1S/C14H24N4/c1-5-15-11-9-12(17-13(16-11)10(2)3)18-14(4)7-6-8-14/h9-10H,5-8H2,1-4H3,(H2,15,16,17,18)
InChIKeyRVLUVUUJLDTAJL-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.39
Rot. Bonds5

About 6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine

6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 113486283) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID113486283
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC2(C)CCC2)nc(C(C)C)n1
InChIInChI=1S/C14H24N4/c1-5-15-11-9-12(17-13(16-11)10(2)3)18-14(4)7-6-8-14/h9-10H,5-8H2,1-4H3,(H2,15,16,17,18)
InChIKeyRVLUVUUJLDTAJL-UHFFFAOYSA-N
XLogP3.39
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethyl-6-N-(1-methylcyclopentyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718695
6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80959385
N-ethyl-2,6-di(propan-2-yl)pyrimidin-4-amine
CID 62191637
4-N-(cyclohexylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967492
6-N-ethyl-4-N-(4-methyloxan-4-yl)pyrimidine-2,4,6-triamine
CID 113491377
6-N-ethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955647
2-N-ethyl-6-methyl-4-N-(1-methylcyclopentyl)pyrimidine-2,4-diamine
CID 80840740
N-ethyl-2-propan-2-yl-6-propylpyrimidin-4-amine
CID 62192677
2-N-ethyl-6-N-(1-methylcyclopropyl)-4-nitropyridine-2,6-diamine
CID 114071266
[2-[[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 80959683
N-ethyl-2-propan-2-yl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 80959285
4-N-(2-ethoxyethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967942

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine (CID 113486283) is 6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine is CCNc1cc(NC2(C)CCC2)nc(C(C)C)n1.
What is the InChIKey of 6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is RVLUVUUJLDTAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-5-15-11-9-12(17-13(16-11)10(2)3)18-14(4)7-6-8-14/h9-10H,5-8H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 248.37 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 113486283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).